methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate

C20H17Cl2NO3 — CID 70383305

IUPACmethyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1cn(CCO)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2NO3/c1-26-20(25)17-12-23(10-11-24)19(14-4-8-16(22)9-5-14)18(17)13-2-6-15(21)7-3-13/h2-9,12,24H,10-11H2,1H3
InChIKeyXHQQHCUDZRGALD-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.91
Rot. Bonds5

About methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate

methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate (PubChem CID 70383305) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate
PubChem CID70383305
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC Namemethyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1cn(CCO)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2NO3/c1-26-20(25)17-12-23(10-11-24)19(14-4-8-16(22)9-5-14)18(17)13-2-6-15(21)7-3-13/h2-9,12,24H,10-11H2,1H3
InChIKeyXHQQHCUDZRGALD-UHFFFAOYSA-N
XLogP4.91
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-(4-chlorophenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 3850963
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 102146845
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339243
methyl 5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117223101
dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
CID 11770872
methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
CID 83827100
methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
CID 82169038
methyl 6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carboxylate
CID 68504879
methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 87576664

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate (CID 70383305) is methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate is COC(=O)c1cn(CCO)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate?
The InChIKey is XHQQHCUDZRGALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-26-20(25)17-12-23(10-11-24)19(14-4-8-16(22)9-5-14)18(17)13-2-6-15(21)7-3-13/h2-9,12,24H,10-11H2,1H3.
What are the key properties of methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate?
methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate has a molecular weight of 390.27 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate is sourced from PubChem (CID 70383305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).